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	hartrees
Energy at 0K	-663.338290
Energy at 298.15K	-663.343497
HF Energy	-662.729121
Nuclear repulsion energy	295.170075

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A	3312	3169	2.32
2	A	3251	3111	0.55
3	A	3128	2993	0.99
4	A	1570	1502	1.71
5	A	1512	1447	3.97
6	A	1273	1218	21.01
7	A	1188	1137	9.90
8	A	1058	1012	0.35
9	A	988	945	30.50
10	A	930	890	116.87
11	A	745	713	18.57
12	A	589	563	64.31
13	A	520	497	29.75
14	A	333	319	11.24
15	A	281	269	12.05
16	A	3220	3081	0.00
17	A	1106	1059	31.46
18	A	1053	1007	159.77
19	A	910	870	12.80
20	A	858	821	16.22
21	A	757	725	61.11
22	A	395	378	0.44
23	A	185	177	0.07
24	A	181	173	2.97

Atom	x (Å)	y (Å)	z (Å)
S1	0.213	0.487	0.000
O2	0.582	1.234	1.388
O3	0.582	1.234	-1.388
C4	-1.490	-0.426	0.000
H5	-2.496	-0.023	0.000
C6	-0.929	-1.660	0.000
H7	-1.444	-2.617	0.000
C8	0.582	-1.481	0.000
H9	1.121	-1.750	0.914
H10	1.121	-1.750	-0.914

	S1	O2	O3	C4	H5	C6	H7	C8	H9	H10
S1		1.6186	1.6186	1.9324	2.7562	2.4316	3.5187	2.0030	2.5821	2.5821
O2	1.6186		2.7755	2.9959	3.6026	3.5471	4.5674	3.0494	3.0693	3.8071
O3	1.6186	2.7755		2.9959	3.6026	3.5471	4.5674	3.0494	3.8071	3.0693
C4	1.9324	2.9959	2.9959		1.0833	1.3557	2.1918	2.3259	3.0678	3.0678
H5	2.7562	3.6026	3.6026	1.0833		2.2661	2.7995	3.4062	4.1116	4.1116
C6	2.4316	3.5471	3.5471	1.3557	2.2661		1.0872	1.5216	2.2467	2.2467
H7	3.5187	4.5674	4.5674	2.1918	2.7995	1.0872		2.3227	2.8580	2.8580
C8	2.0030	3.0494	3.0494	2.3259	3.4062	1.5216	2.3227		1.0947	1.0947
H9	2.5821	3.0693	3.8071	3.0678	4.1116	2.2467	2.8580	1.0947		1.8279
H10	2.5821	3.8071	3.0693	3.0678	4.1116	2.2467	2.8580	1.0947	1.8279

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
S1	C4	H5	129.967	S1	C4	C6	93.726
S1	C8	C6	86.100	S1	C8	H9	109.402
S1	C8	H10	109.402	O2	S1	O3	118.047
O2	S1	C4	114.775	O2	S1	C8	114.290
O3	S1	C4	114.775	O3	S1	C8	114.290
C4	S1	C8	72.435	C4	C6	H7	127.254
C4	C6	C8	107.738	H5	C4	C6	136.307
C6	C8	H9	117.419	C6	C8	H10	117.419
H7	C6	C8	125.008	H9	C8	H10	113.203

All results from a given calculation for C₃H₄O₂S (2H-Thiete-1,1-dioxide)

using model chemistry: MP2/6-31G

States and conformations

	Computational Chemistry Comparison and Benchmark DataBase Release 22 (May 2022) Standard Reference Database 101 National Institute of Standards and Technology
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All results from a given calculation for C3H4O2S (2H-Thiete-1,1-dioxide)

using model chemistry: MP2/6-31G

States and conformations

All results from a given calculation for C₃H₄O₂S (2H-Thiete-1,1-dioxide)